有什么可以替代MS的建模工具吗？基于最近江湖的一些事想到的问题。

ABetaCarw · 发表于 Post on 2020-9-1 09:48:35

本帖最后由 ABetaCarw 于 2020-9-1 09:58 编辑

新闻在2楼。
那么问题来了，有什么趁手的建模工具可以替代MS吗？

新闻要审核后才能发。相信我不说大家也知道是啥事了

ABetaCarw · 发表于 Post on 2020-9-1 09:48:56

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biogon · 发表于 Post on 2020-9-1 09:50:43

QE的图形界面无赖，还有win版本的

wuhuawujiu · 发表于 Post on 2020-9-1 10:57:26

BURAI :

It is a GUI system for Quantum ESPRESSO. You can download and use it freely. This system is developed as JavaFX application by Satomichi Nishihara, and requires Java Runtime Environment (JRE).

PWGui:

PWgui is a GUI for PWscf based programs from Quantum-ESPRESSO integrated suite of codes for electronic structure calculations and materials modeling at the nanoscale. It is developed by by Anton Kokalj.

XCrySDen:

XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It runs on GNU/Linux.

J-ICE:

J-ICE stands for Jmol interface for crystallographic and electronic properties. It is an extension of the powerful, platform independent molecular visualizer Jmol, towards crystallographic and electronic properties.

VMD:

VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD supports computers running MacOS X, Unix, or Windows, is distributed free of charge, and includes source code.

gOpenMol:

gOpenMol is a molecular visualization program written by Leif Laaksonen and available from him at www.csc.fi/gopenmol/ . Versions are available for Windows, Linux, and some Unix platforms.

VESTA:

VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies.

PWcup:

PWcup is a linux-based GUI for Quantum-ESPRESSO codes for electronic structure calculations. The current release supports pw.x, bands.x, dos.x, ph.x, pp.x, projwfc.x modules. It's offer the capability to create, edit or load the main input file. In addition, PWcup offer the visualization of the atomic structure with the XCrySDen program (if installed), and performs basic calculations directly from the interface.

sige · 发表于 Post on 2020-9-1 11:34:57

MS的图形界面不是免费的吗

ABetaCarw · 发表于 Post on 2020-9-1 11:59:39

sige 发表于 2020-9-1 11:34
MS的图形界面不是免费的吗

最近江湖的事就是某机构线下培训中用了MS建模并且给学员发送MS安装包，然后被另一个机构中途叫停了

sobereva · 发表于 Post on 2020-9-1 18:45:52

sige 发表于 2020-9-1 11:34
MS的图形界面不是免费的吗

D$的图形界面是免费的，M$的不是

sobereva · 发表于 Post on 2020-9-1 18:47:33

3L提到的PWGui和VMD等没有建模功能

Avogadro、GaussView、Gabedit等也都可以对晶体进行各种操作，一定程度上足矣代替M$。大多数人用惯了M$那个界面就没怎么关注其它程序。

喵星大佬 · 发表于 Post on 2020-9-2 19:44:52

所以不是和源资高的VASP培训嘛。。。。怎么又扯出MS了。。。

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[建模与可视化] 有什么可以替代MS的建模工具吗？基于最近江湖的一些事想到的问题。

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